N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide

C15H15N5O3S — CID 78861985

IUPACN'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESCn1ccnc1SCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)o1
InChIInChI=1S/C15H15N5O3S/c1-20-8-7-17-15(20)24-9-10-4-5-12(23-10)14(22)19-18-13(21)11-3-2-6-16-11/h2-8,16H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyJDWHJNKDJCOLPG-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.71
Rot. Bonds5

About N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide

N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78861985) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78861985
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESCn1ccnc1SCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)o1
InChIInChI=1S/C15H15N5O3S/c1-20-8-7-17-15(20)24-9-10-4-5-12(23-10)14(22)19-18-13(21)11-3-2-6-16-11/h2-8,16H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyJDWHJNKDJCOLPG-UHFFFAOYSA-N
XLogP1.71
TPSA104.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 120945905
N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55618550
N-(3,5-dimethoxyphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440333
N-(1-benzofuran-2-ylmethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 87018610
N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119586050
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 51087547
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide (CID 78861985) is N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide is Cn1ccnc1SCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)o1.
What is the InChIKey of N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is JDWHJNKDJCOLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-20-8-7-17-15(20)24-9-10-4-5-12(23-10)14(22)19-18-13(21)11-3-2-6-16-11/h2-8,16H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide?
N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 345.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78861985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).